methyl 1-(2,2-dimethylpropanoyl)pyridin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: methyl 1-(2,2-dimethylpropanoyl)pyridin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: methyl 1-(2,2-dimethylpropanoyl)pyridin-1-ium-3-carboxylate; trifluoromethanesulfonate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-3-pyridin-1-iumcarboxylic acid methyl ester; trifluoromethanesulfonate IUPAC Name: methyl 1-(2,2-dimethylpropanoyl)pyridin-1-ium-3-carboxylate; trifluoromethanesulfonate Traditional Name: 1-pivaloylpyridin-1-ium-3-carboxylic acid methyl ester triflate Formula: C13H16F3NO6S MolecularWeight: 371.32945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)[N+]1=CC=CC(=C1)C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)[N+]1=CC=CC(=C1)C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H16NO3.CHF3O3S/c1-12(2,3)11(15)13-7-5-6-9(8-13)10(14)16-4;2-1(3,4)8(5,6)7/h5-8H,1-4H3;(H,5,6,7)/q+1;/p-1